Coronavirus Drug Discovery

Volume 3: Druggable Targets and In Silico Update

1st Edition - July 6, 2022
Editor: Chukwuebuka Egbuna
Language: English
Paperback ISBN:
9 7 8 - 0 - 3 2 3 - 9 5 5 7 8 - 2
eBook ISBN:
9 7 8 - 0 - 3 2 3 - 9 5 5 7 9 - 9

Coronavirus Drug Discovery, Volume Three: Druggable Targets and In Silico Update presents comprehensive information on drug discovery against COVID-19. Chapters in Part One of th… Read more

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Coronavirus Drug Discovery, Volume Three: Druggable Targets and In Silico Update presents comprehensive information on drug discovery against COVID-19. Chapters in Part One of this volume describe the various druggable targets and associated signaling pathways for effective targeting of SARS-CoV-2. In Part Two, chapters discuss the various computational approaches and in silico studies against SARS-CoV-2. Written by global team of experts, this book is an excellent resource that will be extremely useful to drug developers, medicinal chemists, pharmaceutical companies in R&D, research institutes in both academia and industry, and the National Library of Medicines and Health.

In addition, agencies such as the National Institutes of Health, Centers for Disease Control and Prevention, World Health Organization, European Medicines Agency, the US Food and Drug Administration, and all others involved in drug discovery against COVID-19 will find this book useful.

Cover image
Title page
Table of Contents
Copyright
List of contributors
Part I. Druggable targets and signaling pathways
Chapter 1. SARS-CoV-2 genome sequencing and promising druggable targets
1.1. Introduction
1.2. Genome sequencing of SARS-CoV-2: outcomes and predictions
1.3. Druggable targets
1.4. Future projections
1.5. Conclusion
Chapter 2. Signaling pathways implicated in SARS-CoV-2 infection: key drug targets for human coronaviruses and related viral infections
2.1. Introduction
2.2. Reservoir animals and their signaling cues for viral disease alleviation
2.3. Signaling pathways of SARS-CoV pathogenesis in humans
2.4. Drug-target implications conceived from SARS signaling
2.5. Future projections
2.6. Conclusion
Chapter 3. Roles of membrane lipids and lipid synthesis inhibitors in the propagation of coronavirus disease
3.1. Introduction
Chapter 4. Potential drugs in SARS-CoV-2 treatment: key features and mechanisms of actions
4.1. Introduction
4.2. Clinical symptoms
4.3. Caring for chronically ill COVID-19 patients
4.4. Antiviral drugs for COVID-19 treatment
4.5. Future projections
4.6. Conclusion
Chapter 5. Natural drugs for the treatment of severe acute respiratory syndrome coronaviruses infections (SARS-CoV and COVID-19): a complete review of in vitro, in vivo, in silico, and clinical studies
5.1. Introduction
5.2. Methods for evaluating antiviral activities of natural bioactive molecules against SARS coronaviruses
5.3. Treatment of SARS coronavirus infections with natural products from plants origin
5.4. Isolated molecules from plants for treatment of SARS coronavirus infections
5.5. Treatment of SARS coronavirus infections by microbial, animal, and human bioactive molecules
5.6. In vivo and clinical studies of natural medicines for the treatment of SARS coronavirus infections
5.7. Evaluation of in silico antiviral activity of natural medicines for the treatment of COVID-19 infections
5.8. Relationship between of SARS-CoV and COVID-19 treatment using natural drugs
5.9. Conclusion and perspectives
Chapter 6. Plants with potent antiviral properties
6.1. Introduction
6.2. Antiviral medicinal plants and phytochemicals
6.3. Antiviral: a herbal approach
6.4. Antiviral activity of medicinal and herbal plants against selected viruses
6.5. Future projections
6.6. Conclusion
Chapter 7. Herbal-based resources against exanthematous viral infections and other viral diseases
7.1. Introduction
7.2. Viruses associated with cutaneous manifestations of skin eruptions
7.3. Medicinal plants and bioactive compounds in new drug discovery
7.4. Future prospectives
7.5. Conclusions
Chapter 8. Dietary polyphenols as therapeutic agents to combat COVID-19
8.1. Introduction
8.2. Significance of dietary polyphenols as antiviral agents
8.3. Molecular targets and mechanism of action of anti-SARS-CoV-2 dietary polyphenols
8.4. Bioavailability and toxicity of anti-COVID-19 dietary polyphenols
8.5. Anti-SARS-CoV-2 polyphenol contents in dietary foods and their recommended daily intake
8.6. Conclusions and future recommendations
Part II. Computational approaches
Chapter 9. Computational demonstration of cheminformatics and machine learning in coronavirus drug discovery
9.1. Introduction
9.2. The development of potential therapeutics
9.3. Demonstration of the use of computational tools in COVID-19 drug discovery
9.4. Findings from hands-on experiment
9.5. Future perspectives
9.6. Conclusion
Chapter 10. In silico approaches in drug discovery for SARS-CoV-2
10.1. Introduction
10.2. Ongoing clinical trials
10.3. Traditional drug discovery process
10.4. In silico drug design
10.5. In silico methods of drug discovery
10.6. Potential drug targets of SARS-CoV-2 proteins via in silico approaches
10.7. In silico studies for SARS-CoV-2 drug discoveries
10.8. Future projections
10.9. Conclusion
Chapter 11. Application of molecular docking and dynamics tools in SARS-CoV-2 drug design: ligand–protein interaction studies
11.1. Introduction
11.2. Pathophysiology of SARS-CoV-2
11.3. Role of structural proteins
11.4. Treatment
11.5. Prevention of infection
11.6. What is bioinformatics?
11.7. Future projections
11.8. Conclusion
Chapter 12. Molecular dynamic simulation with protein and detection of repurposable drugs for COVID-19
12.1. Introduction
12.2. Molecular docking
12.3. Molecular dynamics (MD) analysis
12.4. Binding pockets prediction
12.5. Structure-based virtual screening
12.6. Docking results for the isolated virus S-protein host recognition domain
12.7. The network of the protein's dynamic components
12.8. Preparation of ligands
12.9. Drug repurposing for COVID-19
12.10. Future projections
12.11. Conclusion
Chapter 13. Computation-guided inhibitor screening against the nucelocapsid of SARS-CoV-2
13.1. Introduction
13.2. Case study
13.3. Results and discussion
13.4. Future projection
13.5. Conclusion
Chapter 14. In silico insight into the interaction of 4-aminoquinolines with selected SARS-CoV-2 structural and nonstructural proteins
14.1. Introduction
14.2. Materials and methods
14.3. Results and discussion
14.4. Conclusion
Chapter 15. In silico evaluation of anti-SARS-CoV-2 activity of Punica granatum L. phytochemicals
15.1. Introduction
15.2. Materials and methods
15.3. Result and discussion
15.4. Future projections
15.5. Conclusion
Chapter 16. In silico investigation and identification of bioactive compounds from medicinal plants as potential inhibitors against SARS-CoV-2 cellular entry
16.1. Introduction
16.2. Materials and methods
16.3. Results and discussion
16.4. Future projections
16.5. Conclusion
Index

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Chukwuebuka Egbuna